Abdul Sattar

Majid Namazi, M. A. Hakim Newton, Conrad Sanderson et al.

A travelling thief problem (TTP) is a proxy to real-life problems such as postal collection. TTP comprises an entanglement of a travelling salesman problem (TSP) and a knapsack problem (KP) since items of KP are scattered over cities of TSP, and a thief has to visit cities to collect items. In TTP, city selection and item selection decisions need close coordination since the thief's travelling speed depends on the knapsack's weight and the order of visiting cities affects the order of item collection. Existing TTP solvers deal with city selection and item selection separately, keeping decisions for one type unchanged while dealing with the other type. This separation essentially means very poor coordination between two types of decision. In this paper, we first show that a simple local search based coordination approach does not work in TTP. Then, to address the aforementioned problems, we propose a human designed coordination heuristic that makes changes to collection plans during exploration of cyclic tours. We further propose another human designed coordination heuristic that explicitly exploits the cyclic tours in item selections during collection plan exploration. Lastly, we propose a machine learning based coordination heuristic that captures characteristics of the two human designed coordination heuristics. Our proposed coordination based approaches help our TTP solver significantly outperform existing state-of-the-art TTP solvers on a set of benchmark problems. Our solver is named Cooperation Coordination (CoCo) and its source code is available from https://github.com/majid75/CoCo

Francesco Olivieri, Guido Governatori, Matteo Cristani et al.

The use of meta-rules in logic, i.e., rules whose content includes other rules, has recently gained attention in the setting of non-monotonic reasoning: a first logical formalisation and efficient algorithms to compute the (meta)-extensions of such theories were proposed in Olivieri et al (2021) This work extends such a logical framework by considering the deontic aspect. The resulting logic will not just be able to model policies but also tackle well-known aspects that occur in numerous legal systems. The use of Defeasible Logic (DL) to model meta-rules in the application area we just alluded to has been investigated. Within this line of research, the study mentioned above was not focusing on the general computational properties of meta-rules. This study fills this gap with two major contributions. First, we introduce and formalise two variants of Defeasible Deontic Logic with Meta-Rules to represent (1) defeasible meta-theories with deontic modalities, and (2) two different types of conflicts among rules: Simple Conflict Defeasible Deontic Logic, and Cautious Conflict Defeasible Deontic Logic. Second, we advance efficient algorithms to compute the extensions for both variants.

Aabid Karim, Abdul Karim, Bhoomika Lohana et al.

Large Language Models (LLMs) have significantly advanced various fields, particularly coding, mathematical reasoning, and logical problem solving. However, a critical question remains: Do these mathematical reasoning abilities persist when LLMs are presented with culturally adapted math problems? Specifically, how do LLMs perform when faced with math problems embedded in cultural contexts that have no significant representation in main stream web-scale AI training data? To explore this, we generated six synthetic cultural datasets from GSM8K, a widely used benchmark for assessing LLMs' mathematical reasoning skills. While preserving the mathematical logic and numerical values of the original GSM8K test set, we modify cultural elements such as personal names, food items, place names, etc. These culturally adapted datasets provide a more reliable framework for evaluating LLMs' mathematical reasoning under shifting cultural contexts. Our findings reveal that LLMs struggle with math problems when cultural references change, even though the underlying mathematical structure remains constant. Smaller models exhibit greater performance drops compared to larger models. Interestingly, our results also suggest that cultural familiarity can enhance mathematical reasoning. Even models with no explicit mathematical training but exposure to relevant cultural contexts sometimes outperform larger, mathematically proficient models on culturally embedded math problems. This study highlights the impact of cultural context on the mathematical reasoning abilities of LLMs, underscoring the need for more diverse and representative training data to improve robustness in real-world applications. The benchmark data sets and script for reproducing the results are available at https://github.com/akarim23131/Lost_in_Cultural_Translation

Sabin Huda, Ernest Foo, Zahra Jadidi et al.

Anti-money laundering (AML) research is constrained by the lack of publicly shareable, regulation-aligned transaction datasets. We present AMLNet, a knowledge-based multi-agent framework with two coordinated units: a regulation-aware transaction generator and an ensemble detection pipeline. The generator produces 1,090,173 synthetic transactions (approximately 0.16\% laundering-positive) spanning core laundering phases (placement, layering, integration) and advanced typologies (e.g., structuring, adaptive threshold behavior). Regulatory alignment reaches 75\% based on AUSTRAC rule coverage (Section 4.2), while a composite technical fidelity score of 0.75 summarizes temporal, structural, and behavioral realism components (Section 4.4). The detection ensemble achieves F1 0.90 (precision 0.84, recall 0.97) on the internal test partitions of AMLNet and adapts to the external SynthAML dataset, indicating architectural generalizability across different synthetic generation paradigms. We provide multi-dimensional evaluation (regulatory, temporal, network, behavioral) and release the dataset (Version 1.0, https://doi.org/10.5281/zenodo.16736515), to advance reproducible and regulation-conscious AML experimentation.

Majid Namazi, Conrad Sanderson, M. A. Hakim Newton et al.

The travelling thief problem (TTP) is a multi-component optimisation problem involving two interdependent NP-hard components: the travelling salesman problem (TSP) and the knapsack problem (KP). Recent state-of-the-art TTP solvers modify the underlying TSP and KP solutions in an iterative and interleaved fashion. The TSP solution (cyclic tour) is typically changed in a deterministic way, while changes to the KP solution typically involve a random search, effectively resulting in a quasi-meandering exploration of the TTP solution space. Once a plateau is reached, the iterative search of the TTP solution space is restarted by using a new initial TSP tour. We propose to make the search more efficient through an adaptive surrogate model (based on a customised form of Support Vector Regression) that learns the characteristics of initial TSP tours that lead to good TTP solutions. The model is used to filter out non-promising initial TSP tours, in effect reducing the amount of time spent to find a good TTP solution. Experiments on a broad range of benchmark TTP instances indicate that the proposed approach filters out a considerable number of non-promising initial tours, at the cost of omitting only a small number of the best TTP solutions.

Majid Namazi, Conrad Sanderson, M. A. Hakim Newton et al.

The travelling thief problem (TTP) is a representative of multi-component optimisation problems with interacting components. TTP combines the knapsack problem (KP) and the travelling salesman problem (TSP). A thief performs a cyclic tour through a set of cities, and pursuant to a collection plan, collects a subset of items into a rented knapsack with finite capacity. The aim is to maximise profit while minimising renting cost. Existing TTP solvers typically solve the KP and TSP components in an interleaved manner: the solution of one component is kept fixed while the solution of the other component is modified. This suggests low coordination between solving the two components, possibly leading to low quality TTP solutions. The 2-OPT heuristic is often used for solving the TSP component, which reverses a segment in the tour. Within TTP, 2-OPT does not take into account the collection plan, which can result in a lower objective value. This in turn can result in the tour modification to be rejected by a solver. We propose an expanded form of 2-OPT to change the collection plan in coordination with tour modification. Items regarded as less profitable and collected in cities located earlier in the reversed segment are substituted by items that tend to be more profitable and not collected in cities located later in the reversed segment. The collection plan is further changed through a modified form of the hill-climbing bit-flip search, where changes in the collection state are only permitted for boundary items, which are defined as lowest profitable collected items or highest profitable uncollected items. This restriction reduces the time spent on the KP component, allowing more tours to be evaluated by the TSP component within a time budget. The proposed approaches form the basis of a new cooperative coordination solver, which is shown to outperform several state-of-the-art TTP solvers.

Abdul Karim, Jaspreet Singh, Avinash Mishra et al.

Prediction of toxicity levels of chemical compounds is an important issue in Quantitative Structure-Activity Relationship (QSAR) modeling. Although toxicity prediction has achieved significant progress in recent times through deep learning, prediction accuracy levels obtained by even very recent methods are not yet very high. We propose a multimodal deep learning method using multiple heterogeneous neural network types and data representations. We represent chemical compounds by strings, images, and numerical features. We train fully connected, convolutional, and recurrent neural networks and their ensembles. Each data representation or neural network type has its own strengths and weaknesses. Our motivation is to obtain a collective performance that could go beyond individual performance of each data representation or each neural network type. On a standard toxicity benchmark, our proposed method obtains significantly better accuracy levels than that by the state-of-the-art toxicity prediction methods.

Abdul Karim, Avinash Mishra, M A Hakim Newton et al.

Toxicity prediction of chemical compounds is a grand challenge. Lately, it achieved significant progress in accuracy but using a huge set of features, implementing a complex blackbox technique such as a deep neural network, and exploiting enormous computational resources. In this paper, we strongly argue for the models and methods that are simple in machine learning characteristics, efficient in computing resource usage, and powerful to achieve very high accuracy levels. To demonstrate this, we develop a single task-based chemical toxicity prediction framework using only 2D features that are less compute intensive. We effectively use a decision tree to obtain an optimum number of features from a collection of thousands of them. We use a shallow neural network and jointly optimize it with decision tree taking both network parameters and input features into account. Our model needs only a minute on a single CPU for its training while existing methods using deep neural networks need about 10 min on NVidia Tesla K40 GPU. However, we obtain similar or better performance on several toxicity benchmark tasks. We also develop a cumulative feature ranking method which enables us to identify features that can help chemists perform prescreening of toxic compounds effectively.

Zongjie Ma, Abdul Sattar, Jun Zhou et al.

Dropout has proven to be an effective technique for regularization and preventing the co-adaptation of neurons in deep neural networks (DNN). It randomly drops units with a probability $p$ during the training stage of DNN. Dropout also provides a way of approximately combining exponentially many different neural network architectures efficiently. In this work, we add a diversification strategy into dropout, which aims at generating more different neural network architectures in a proper times of iterations. The dropped units in last forward propagation will be marked. Then the selected units for dropping in the current FP will be kept if they have been marked in the last forward propagation. We only mark the units from the last forward propagation. We call this new technique Tabu Dropout. Tabu Dropout has no extra parameters compared with the standard Dropout and also it is computationally cheap. The experiments conducted on MNIST, Fashion-MNIST datasets show that Tabu Dropout improves the performance of the standard dropout.

Abdul Karim, Avinash Mishra, MA Hakim Newton et al.

The term "interpretability" is oftenly used by machine learning researchers each with their own intuitive understanding of it. There is no universal well agreed upon definition of interpretability in machine learning. As any type of science discipline is mainly driven by the set of formulated questions rather than by different tools in that discipline, e.g. astrophysics is the discipline that learns the composition of stars, not as the discipline that use the spectroscopes. Similarly, we propose that machine learning interpretability should be a discipline that answers specific questions related to interpretability. These questions can be of statistical, causal and counterfactual nature. Therefore, there is a need to look into the interpretability problem of machine learning in the context of questions that need to be addressed rather than different tools. We discuss about a hypothetical interpretability framework driven by a question based scientific approach rather than some specific machine learning model. Using a question based notion of interpretability, we can step towards understanding the science of machine learning rather than its engineering. This notion will also help us understanding any specific problem more in depth rather than relying solely on machine learning methods.

Majid Namazi, Conrad Sanderson, M. A. Hakim Newton et al.

The well-known Late Acceptance Hill Climbing (LAHC) search aims to overcome the main downside of traditional Hill Climbing (HC) search, which is often quickly trapped in a local optimum due to strictly accepting only non-worsening moves within each iteration. In contrast, LAHC also accepts worsening moves, by keeping a circular array of fitness values of previously visited solutions and comparing the fitness values of candidate solutions against the least recent element in the array. While this straightforward strategy has proven effective, there are nevertheless situations where LAHC can unfortunately behave in a similar manner to HC. For example, when a new local optimum is found, often the same fitness value is stored many times in the array. To address this shortcoming, we propose new acceptance and replacement strategies to take into account worsening, improving, and sideways movement scenarios with the aim to improve the diversity of values in the array. Compared to LAHC, the proposed Diversified Late Acceptance Search approach is shown to lead to better quality solutions that are obtained with a lower number of iterations on benchmark Travelling Salesman Problems and Quadratic Assignment Problems.

Zhiqiang Zhuang, James Delgrande, Abhaya Nayak et al.

Belief revision has been studied mainly with respect to background logics that are monotonic in character. In this paper we study belief revision when the underlying logic is non-monotonic instead--an inherently interesting problem that is under explored. In particular, we will focus on the revision of a body of beliefs that is represented as a logic program under the answer set semantics, while the new information is also similarly represented as a logic program. Our approach is driven by the observation that unlike in a monotonic setting where, when necessary, consistency in a revised body of beliefs is maintained by jettisoning some old beliefs, in a non-monotonic setting consistency can be restored by adding new beliefs as well. We will define a syntactic revision function and subsequently provide representation theorem for characterising it.

Mahmood A. Rashid, Sumaiya Iqbal, Firas Khatib et al.

Protein structure prediction is considered as one of the most challenging and computationally intractable combinatorial problem. Thus, the efficient modeling of convoluted search space, the clever use of energy functions, and more importantly, the use of effective sampling algorithms become crucial to address this problem. For protein structure modeling, an off-lattice model provides limited scopes to exercise and evaluate the algorithmic developments due to its astronomically large set of data-points. In contrast, an on-lattice model widens the scopes and permits studying the relatively larger proteins because of its finite set of data-points. In this work, we took the full advantage of an on-lattice model by using a face-centered-cube lattice that has the highest packing density with the maximum degree of freedom. We proposed a graded energy-strategically mixes the Miyazawa-Jernigan (MJ) energy with the hydrophobic-polar (HP) energy-based genetic algorithm (GA) for conformational search. In our application, we introduced a 2x2 HP energy guided macro-mutation operator within the GA to explore the best possible local changes exhaustively. Conversely, the 20x20 MJ energy model-the ultimate objective function of our GA that needs to be minimized-considers the impacts amongst the 20 different amino acids and allow searching the globally acceptable conformations. On a set of benchmark proteins, our proposed approach outperformed state-of-the-art approaches in terms of the free energy levels and the root-mean-square deviations.

Yi Fan, Chengqian Li, Zongjie Ma et al.

The Minimum Vertex Cover (MinVC) problem is a well-known NP-hard problem. Recently there has been great interest in solving this problem on real-world massive graphs. For such graphs, local search is a promising approach to finding optimal or near-optimal solutions. In this paper we propose a local search algorithm that exploits reduction rules and data structures to solve the MinVC problem in such graphs. Experimental results on a wide range of real-word massive graphs show that our algorithm finds better covers than state-of-the-art local search algorithms for MinVC. Also we present interesting results about the complexities of some well-known heuristics.

Shaowei Cai, Kaile Su, Chuan Luo et al.

The Minimum Vertex Cover (MVC) problem is a prominent NP-hard combinatorial optimization problem of great importance in both theory and application. Local search has proved successful for this problem. However, there are two main drawbacks in state-of-the-art MVC local search algorithms. First, they select a pair of vertices to exchange simultaneously, which is time-consuming. Secondly, although using edge weighting techniques to diversify the search, these algorithms lack mechanisms for decreasing the weights. To address these issues, we propose two new strategies: two-stage exchange and edge weighting with forgetting. The two-stage exchange strategy selects two vertices to exchange separately and performs the exchange in two stages. The strategy of edge weighting with forgetting not only increases weights of uncovered edges, but also decreases some weights for each edge periodically. These two strategies are used in designing a new MVC local search algorithm, which is referred to as NuMVC. We conduct extensive experimental studies on the standard benchmarks, namely DIMACS and BHOSLIB. The experiment comparing NuMVC with state-of-the-art heuristic algorithms show that NuMVC is at least competitive with the nearest competitor namely PLS on the DIMACS benchmark, and clearly dominates all competitors on the BHOSLIB benchmark. Also, experimental results indicate that NuMVC finds an optimal solution much faster than the current best exact algorithm for Maximum Clique on random instances as well as some structured ones. Moreover, we study the effectiveness of the two strategies and the run-time behaviour through experimental analysis.

Kushal Ahmed, Toby Myers, Lian Wen et al.

Behavior Engineering (BE) provides a rigorous way to derive a formal specification of a software system from the requirements written in natural language. Its graphical specification language, Behavior Tree (BT), has been used with success in industry to systematically translate large, complex, and often erroneous requirements into an integrated model of the software system. BE's process, the Behavior Modeling Process (BMP), allows requirements to be translated into individual requirement BTs one at a time, which are then integrated to form a holistic view of the system. The integrated BT then goes through a series of modifications to construct a specification BT, which is used for validation and verification. The BMP also addresses different types of defects in the requirements throughout its process. However, BT itself is a graphical modeling notation, and the types of integration relations, how they correspond to particular issues, how they should be integrated and how to get formal specification have not been clearly defined. As a result, the BMP is informal, and provides guidelines to perform all these tasks on an ad-hoc basis. In this paper, we first introduce a mathematical framework which defines the graphical form of BTs which we use to define the integration relationships of BTs and to formalize the integration strategy of the BMP. We then formulate semi-automated requirements defects detection techniques by utilizing this underlying mathematical framework, which may be extended to formalize the BMP, develop change management framework for it, build techniques for round-trip engineering and so on.

Kaile Su, Abdul Sattar, Guanfeng Lv et al.

In this paper, we investigate knowledge reasoning within a simple framework called knowledge structure. We use variable forgetting as a basic operation for one agent to reason about its own or other agents\ knowledge. In our framework, two notions namely agents\ observable variables and the weakest sufficient condition play important roles in knowledge reasoning. Given a background knowledge base and a set of observable variables for each agent, we show that the notion of an agent knowing a formula can be defined as a weakest sufficient condition of the formula under background knowledge base. Moreover, we show how to capture the notion of common knowledge by using a generalized notion of weakest sufficient condition. Also, we show that public announcement operator can be conveniently dealt with via our notion of knowledge structure. Further, we explore the computational complexity of the problem whether an epistemic formula is realized in a knowledge structure. In the general case, this problem is PSPACE-hard; however, for some interesting subcases, it can be reduced to co-NP. Finally, we discuss possible applications of our framework in some interesting domains such as the automated analysis of the well-known muddy children puzzle and the verification of the revised Needham-Schroeder protocol. We believe that there are many scenarios where the natural presentation of the available information about knowledge is under the form of a knowledge structure. What makes it valuable compared with the corresponding multi-agent S5 Kripke structure is that it can be much more succinct.

Mahmood A. Rashid, M. A. Hakim Newton, Md. Tamjidul Hoque et al.

Protein structure prediction (PSP) is computationally a very challenging problem. The challenge largely comes from the fact that the energy function that needs to be minimised in order to obtain the native structure of a given protein is not clearly known. A high resolution 20x20 energy model could better capture the behaviour of the actual energy function than a low resolution energy model such as hydrophobic polar. However, the fine grained details of the high resolution interaction energy matrix are often not very informative for guiding the search. In contrast, a low resolution energy model could effectively bias the search towards certain promising directions. In this paper, we develop a genetic algorithm that mainly uses a high resolution energy model for protein structure evaluation but uses a low resolution HP energy model in focussing the search towards exploring structures that have hydrophobic cores. We experimentally show that this mixing of energy models leads to significant lower energy structures compared to the state-of-the-art results.

Swakkhar Shatabda, M. A. Hakim Newton, Duc Nghia Pham et al.

Protein structure prediction based on Hydrophobic-Polar energy model essentially becomes searching for a conformation having a compact hydrophobic core at the center. The hydrophobic core minimizes the interaction energy between the amino acids of the given protein. Local search algorithms can quickly find very good conformations by moving repeatedly from the current solution to its "best" neighbor. However, once such a compact hydrophobic core is found, the search stagnates and spends enormous effort in quest of an alternative core. In this paper, we attempt to restructure segments of a conformation with such compact core. We select one large segment or a number of small segments and apply exhaustive local search. We also apply a mix of heuristics so that one heuristic can help escape local minima of another. We evaluated our algorithm by using Face Centered Cubic (FCC) Lattice on a set of standard benchmark proteins and obtain significantly better results than that of the state-of-the-art methods.